ergo
DIISManagerUnrestricted Class Reference

#include <diis_unrestricted.h>

Inheritance diagram for DIISManagerUnrestricted:
DIISManager

Public Member Functions

 DIISManagerUnrestricted ()
 
 ~DIISManagerUnrestricted ()
 
int AddIterationToList (symmMatrix &F_alpha, symmMatrix &F_beta, normalMatrix &E_alpha, normalMatrix &E_beta)
 
int ClearList ()
 
int GetCombinedFockMatrices (symmMatrix &result_alpha, symmMatrix &result_beta)
 
- Public Member Functions inherited from DIISManager
int Initialize (int noOfIters)
 
int GetNoOfIters ()
 

Additional Inherited Members

- Protected Member Functions inherited from DIISManager
 DIISManager ()
 
virtual ~DIISManager ()
 
ergo_real DoScalarProductOfErrorMatrices (const normalMatrix &E1, const normalMatrix &E2)
 
int RemoveOldestIteration ()
 
- Protected Attributes inherited from DIISManager
symmMatrix ** F_list [2]
 
normalMatrix ** E_list [2]
 
int MaxNoOfIters
 
int MatrixDimension
 
int IterCount
 
ergo_realB
 

Constructor & Destructor Documentation

◆ DIISManagerUnrestricted()

DIISManagerUnrestricted::DIISManagerUnrestricted ( )

◆ ~DIISManagerUnrestricted()

DIISManagerUnrestricted::~DIISManagerUnrestricted ( )

References ClearList().

Member Function Documentation

◆ AddIterationToList()

◆ ClearList()

int DIISManagerUnrestricted::ClearList ( )

◆ GetCombinedFockMatrices()

int DIISManagerUnrestricted::GetCombinedFockMatrices ( symmMatrix result_alpha,
symmMatrix result_beta 
)

The documentation for this class was generated from the following files: